Geometry & MOs

Info

ID:	29750
PubChem CID:	836873
Reduced:	OCl2N2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	3.49
Dipole, Da:	4.59
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl) butanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=CC=C3Cl

DOS

IR

Vibrations